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"structure_string": "Nb12 Cd2 Br32 O36\n1.0\n0.000000 10.763932 10.763932\n10.763932 0.000000 10.763932\n10.763932 10.763932 0.000000\nNb Cd Br O\n12 2 32 36\ndirect\n0.351987 0.351987 0.648013 Nb\n0.648013 0.648013 0.351987 Nb\n0.351987 0.648013 0.351987 Nb\n0.648013 0.351987 0.648013 Nb\n0.648013 0.351987 0.351987 Nb\n0.351987 0.648013 0.648013 Nb\n0.898013 0.898013 0.601987 Nb\n0.601987 0.601987 0.898013 Nb\n0.898013 0.601987 0.898013 Nb\n0.601987 0.898013 0.601987 Nb\n0.601987 0.898013 0.898013 Nb\n0.898013 0.601987 0.601987 Nb\n0.250000 0.250000 0.250000 Cd\n0.000000 0.000000 0.000000 Cd\n0.261125 0.497793 0.497793 Br\n0.497793 0.261125 0.743288 Br\n0.497793 0.743288 0.261125 Br\n0.743288 0.497793 0.497793 Br\n0.497793 0.497793 0.261125 Br\n0.261125 0.743288 0.497793 Br\n0.743288 0.261125 0.497793 Br\n0.497793 0.497793 0.743288 Br\n0.497793 0.261125 0.497793 Br\n0.743288 0.497793 0.261125 Br\n0.261125 0.497793 0.743288 Br\n0.497793 0.743288 0.497793 Br\n0.988875 0.752207 0.752207 Br\n0.752207 0.988875 0.506712 Br\n0.752207 0.506712 0.988875 Br\n0.506712 0.752207 0.752207 Br\n0.752207 0.752207 0.988875 Br\n0.988875 0.506712 0.752207 Br\n0.506712 0.988875 0.752207 Br\n0.752207 0.752207 0.506712 Br\n0.752207 0.988875 0.752207 Br\n0.506712 0.752207 0.988875 Br\n0.988875 0.752207 0.506712 Br\n0.752207 0.506712 0.752207 Br\n0.037079 0.320974 0.320974 Br\n0.320974 0.037079 0.320974 Br\n0.320974 0.320974 0.037079 Br\n0.320974 0.320974 0.320974 Br\n0.212921 0.929026 0.929026 Br\n0.929026 0.212921 0.929026 Br\n0.929026 0.929026 0.212921 Br\n0.929026 0.929026 0.929026 Br\n0.272442 0.272442 0.727558 O\n0.727558 0.727558 0.272442 O\n0.272442 0.727558 0.272442 O\n0.727558 0.272442 0.727558 O\n0.727558 0.272442 0.272442 O\n0.272442 0.727558 0.727558 O\n0.977558 0.977558 0.522442 O\n0.522442 0.522442 0.977558 O\n0.977558 0.522442 0.977558 O\n0.522442 0.977558 0.522442 O\n0.522442 0.977558 0.977558 O\n0.977558 0.522442 0.522442 O\n0.600394 0.183238 0.183238 O\n0.183238 0.600394 0.033131 O\n0.183238 0.033131 0.600394 O\n0.033131 0.183238 0.183238 O\n0.183238 0.183238 0.600394 O\n0.600394 0.033131 0.183238 O\n0.033131 0.600394 0.183238 O\n0.183238 0.183238 0.033131 O\n0.183238 0.600394 0.183238 O\n0.033131 0.183238 0.600394 O\n0.600394 0.183238 0.033131 O\n0.183238 0.033131 0.183238 O\n0.649606 0.066762 0.066762 O\n0.066762 0.649606 0.216869 O\n0.066762 0.216869 0.649606 O\n0.216869 0.066762 0.066762 O\n0.066762 0.066762 0.649606 O\n0.649606 0.216869 0.066762 O\n0.216869 0.649606 0.066762 O\n0.066762 0.066762 0.216869 O\n0.066762 0.649606 0.066762 O\n0.216869 0.066762 0.649606 O\n0.649606 0.066762 0.216869 O\n0.066762 0.216869 0.066762 O\n",
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],
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"density_atomic": 0.032875398076475944,
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"volume_molar": 18.318077079982658,
"formula_full": "Nb12 Cd2 Br32 O36",
"formula_reduced": "Nb6Cd(Br8O9)2",
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"updated_at": "2021-11-28T01:38:01.379000Z",
"spacegroup": 227
},
{
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"created_at": "2022-09-04T14:47:14.247071Z",
"structure_string": "Nd8 Fe2\n1.0\n-5.501972 -5.501972 0.000000\n-5.501972 0.000000 -5.501972\n0.000000 -5.501972 -5.501972\nNd Fe\n8 2\ndirect\n0.616058 0.616058 0.616058 Nd\n0.151827 0.616058 0.616058 Nd\n0.616058 0.151827 0.616058 Nd\n0.598173 0.133942 0.133942 Nd\n0.133942 0.133942 0.133942 Nd\n0.616058 0.616058 0.151827 Nd\n0.133942 0.598173 0.133942 Nd\n0.133942 0.133942 0.598173 Nd\n0.000000 0.000000 0.000000 Fe\n0.750000 0.750000 0.750000 Fe\n",
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"chemical_system": "Fe-Nd",
"density": 6.309128343680779,
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"formula_full": "Nd8 Fe2",
"formula_reduced": "Nd4Fe",
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{
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"structure_string": "U2 Ir4\n1.0\n0.000000 3.766492 3.766492\n3.766492 0.000000 3.766492\n3.766492 3.766492 0.000000\nU Ir\n2 4\ndirect\n0.750000 0.750000 0.750000 U\n0.500000 0.500000 0.500000 U\n0.125000 0.625000 0.125000 Ir\n0.125000 0.125000 0.625000 Ir\n0.625000 0.125000 0.125000 Ir\n0.125000 0.125000 0.125000 Ir\n",
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{
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"structure_string": "Eu2 Y4 O8\n1.0\n0.000000 4.909104 4.909104\n4.909104 0.000000 4.909104\n4.909104 4.909104 0.000000\nEu Y O\n2 4 8\ndirect\n0.750000 0.750000 0.750000 Eu\n0.500000 0.500000 0.500000 Eu\n0.125000 0.125000 0.625000 Y\n0.125000 0.625000 0.125000 Y\n0.625000 0.125000 0.125000 Y\n0.125000 0.125000 0.125000 Y\n0.890367 0.890367 0.890367 O\n0.890367 0.328898 0.890367 O\n0.328898 0.890367 0.890367 O\n0.359633 0.359633 0.921102 O\n0.890367 0.890367 0.328898 O\n0.921102 0.359633 0.359633 O\n0.359633 0.921102 0.359633 O\n0.359633 0.359633 0.359633 O\n",
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"volume": 236.61196050392076,
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"formula_full": "Eu2 Y4 O8",
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}
]
}